#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qkh s VAL 9 N 0.00 5.35 0.02 1.61 1.01 -1.26 -4.82 120.40 122.32 1qkh s VAL 9 Ca 0.00 -3.63 0.01 0.00 0.00 0.00 0.00 61.98 58.36 1qkh s VAL 9 Cb 0.00 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 1qkh s VAL 9 CO 0.00 -1.15 -0.04 0.12 0.00 0.00 0.00 175.10 174.03 1qkh s PHE 10 N -1.33 0.33 -0.21 5.22 2.19 -1.25 -5.10 117.98 117.83 1qkh s PHE 10 Ca 0.30 -0.46 -0.01 0.00 0.33 0.00 0.00 56.93 57.08 1qkh s PHE 10 Cb -0.09 -0.22 0.01 0.00 -1.31 0.00 0.00 43.02 41.41 1qkh s PHE 10 CO -0.10 -0.14 -0.11 0.54 1.83 0.00 0.00 175.22 177.23 1qkh s VAL 11 N -1.27 2.72 -0.71 3.12 0.11 -1.26 -2.17 120.40 120.93 1qkh s VAL 11 Ca -0.13 -0.79 -0.34 0.00 -2.93 0.00 0.00 61.98 57.80 1qkh s VAL 11 Cb -0.09 -2.23 -0.18 0.00 -1.53 0.00 0.00 36.38 32.35 1qkh s VAL 11 CO -0.01 0.43 2.45 -0.67 -3.33 0.00 0.00 175.10 173.97 1qkh n ASP 12 N 4.70 0.97 0.27 3.54 -0.08 -1.26 -4.74 116.55 119.95 1qkh n ASP 12 Ca -0.19 0.23 0.15 0.00 -1.51 0.00 0.00 54.79 53.48 1qkh n ASP 12 Cb 0.50 -1.06 0.71 0.00 2.34 0.00 0.00 41.12 43.61 1qkh n ASP 12 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 1qkh h ASP 13 N 12.44 0.00 0.66 1.67 3.58 -1.97 -2.22 116.42 130.58 1qkh h ASP 13 Ca -0.12 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.19 1qkh h ASP 13 Cb 1.33 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.36 1qkh h ASP 13 CO 1.23 0.08 -0.66 -0.74 -2.88 0.00 0.00 179.24 176.27 1qkh h HIS 14 N 0.00 0.00 0.13 0.28 2.76 -1.96 -2.13 115.15 114.23 1qkh h HIS 14 Ca -0.00 0.00 -0.29 0.00 -2.20 0.00 0.00 60.37 57.88 1qkh h HIS 14 Cb 0.46 0.00 0.02 0.00 1.55 0.00 0.00 27.41 29.44 1qkh h HIS 14 CO 0.00 0.66 -1.25 1.37 -1.30 0.00 0.00 177.93 177.41 1qkh h LEU 15 N 0.00 0.77 -0.72 0.26 8.10 -1.61 -3.24 115.31 118.86 1qkh h LEU 15 Ca -0.01 -0.73 0.03 0.00 0.11 0.00 0.00 57.88 57.28 1qkh h LEU 15 Cb 1.16 -0.24 -0.04 0.00 -0.44 0.00 0.00 40.66 41.10 1qkh h LEU 15 CO 0.09 1.55 0.46 -0.07 -4.11 0.00 0.00 178.44 176.35 1qkh h LEU 16 N 0.22 0.77 -2.25 0.17 4.07 -1.39 0.14 115.31 117.05 1qkh h LEU 16 Ca -0.18 -0.01 0.04 0.00 0.08 0.00 0.00 57.88 57.82 1qkh h LEU 16 Cb 1.93 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 43.49 1qkh h LEU 16 CO 0.23 0.54 0.23 1.05 -1.08 0.00 0.00 178.44 179.41 1qkh h GLU 17 N 0.91 0.00 0.00 1.13 4.11 -1.41 -0.53 114.58 118.79 1qkh h GLU 17 Ca 0.29 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 59.36 1qkh h GLU 17 Cb -0.01 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.18 1qkh h GLU 17 CO -0.10 0.00 -2.27 1.63 0.07 0.00 0.00 179.01 178.34 1qkh n LYS 18 N -3.51 0.68 0.02 1.06 4.76 -0.09 -4.22 118.16 116.86 1qkh n LYS 18 Ca 0.01 0.04 -0.15 0.00 -2.87 0.00 0.00 58.31 55.34 1qkh n LYS 18 Cb 0.34 -1.56 -0.04 0.00 -1.84 0.00 0.00 35.03 31.92 1qkh n LYS 18 CO 0.00 0.00 0.00 -0.24 -1.37 0.00 0.00 177.40 175.79 1qkh h VAL 19 N 0.00 1.32 0.00 -0.18 3.04 0.31 -2.89 116.25 117.84 1qkh h VAL 19 Ca -0.50 -2.10 -0.01 0.00 -1.01 0.00 0.00 66.70 63.08 1qkh h VAL 19 Cb 2.19 2.10 -0.00 0.00 -2.01 0.00 0.00 31.29 33.57 1qkh h VAL 19 CO 0.04 0.65 -0.06 0.17 -1.01 0.00 0.00 177.57 177.36 1qkh h LEU 20 N 0.42 0.00 -0.78 3.16 8.10 -1.35 0.99 115.31 125.85 1qkh h LEU 20 Ca -0.06 0.00 -0.12 0.00 0.11 0.00 0.00 57.88 57.81 1qkh h LEU 20 Cb 1.43 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.64 1qkh h LEU 20 CO 0.16 0.06 -0.43 -0.33 -4.11 0.00 0.00 178.44 173.78 1qkh h GLU 21 N 0.00 0.39 0.00 0.17 5.08 -1.68 -1.83 114.58 116.70 1qkh h GLU 21 Ca -0.00 -0.20 -0.10 0.00 -1.00 0.00 0.00 59.36 58.06 1qkh h GLU 21 Cb 0.13 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1qkh h GLU 21 CO 0.01 0.75 -0.46 -0.07 -1.00 0.00 0.00 179.01 178.24 1qkh h LEU 22 N 0.32 0.00 0.00 1.33 -0.00 -0.76 -2.71 115.31 113.49 1qkh h LEU 22 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 1qkh h LEU 22 Cb 0.90 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.56 1qkh h LEU 22 CO 0.07 0.46 -0.14 0.59 -0.00 0.00 0.00 178.44 179.43 1qkh n ASN 23 N -3.49 0.60 0.04 -0.43 3.02 -0.67 -0.80 115.26 113.52 1qkh n ASN 23 Ca 0.00 0.43 -0.13 0.00 -0.03 0.00 0.00 54.58 54.84 1qkh n ASN 23 Cb 0.59 -0.49 -0.14 0.00 -0.61 0.00 0.00 39.78 39.13 1qkh n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qkh h ALA 24 N 2.66 0.42 0.00 5.41 0.00 -1.02 -3.33 119.26 123.40 1qkh h ALA 24 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 54.91 53.73 1qkh h ALA 24 Cb 0.67 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1qkh h ALA 24 CO 0.00 1.28 -1.03 0.36 0.00 0.00 0.00 179.25 179.87 1qkh n LYS 25 N -3.34 0.44 -1.23 0.00 2.85 -1.14 -4.96 118.16 110.78 1qkh n LYS 25 Ca -0.15 0.04 0.00 0.00 -1.05 0.00 0.00 58.31 57.16 1qkh n LYS 25 Cb 1.03 -1.69 0.00 0.00 -0.65 0.00 0.00 35.03 33.72 1qkh n LYS 25 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1qkh n GLY 26 N 1.28 1.03 3.35 2.58 0.00 -0.89 -5.07 105.19 107.48 1qkh n GLY 26 Ca 0.01 -0.49 -0.33 0.00 0.00 0.00 0.00 46.02 45.21 1qkh n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qkh s GLU 27 N -2.78 3.35 -1.11 1.61 2.02 0.02 -5.03 118.70 116.79 1qkh s GLU 27 Ca 0.00 -0.69 -0.10 0.00 0.02 0.00 0.00 54.97 54.20 1qkh s GLU 27 Cb 0.00 -2.65 0.26 0.00 0.10 0.00 0.00 34.13 31.84 1qkh s GLU 27 CO 0.00 0.15 1.13 0.15 0.02 0.00 0.00 175.26 176.71 1qkh s LYS 28 N 0.50 4.16 0.00 1.61 3.01 -1.26 -4.44 119.74 123.32 1qkh s LYS 28 Ca -0.09 -3.10 0.00 0.00 -1.01 0.00 0.00 55.97 51.77 1qkh s LYS 28 Cb -0.16 -4.61 0.00 0.00 -1.01 0.00 0.00 37.83 32.05 1qkh s LYS 28 CO 0.04 -1.31 0.00 -2.13 0.51 0.00 0.00 175.35 172.47 1qkh n ARG 29 N 3.12 3.78 -4.40 1.68 0.63 -1.26 -4.83 116.66 115.38 1qkh n ARG 29 Ca 0.25 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.92 1qkh n ARG 29 Cb 0.40 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 33.19 1qkh n ARG 29 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 1qkh s LEU 30 N 0.00 2.42 0.19 6.15 0.05 -1.26 -1.26 118.68 124.97 1qkh s LEU 30 Ca 0.00 -0.85 0.11 0.00 0.05 0.00 0.00 54.13 53.44 1qkh s LEU 30 Cb 0.00 -1.09 -0.04 0.00 -2.05 0.00 0.00 46.19 43.01 1qkh s LEU 30 CO 0.00 0.09 -0.21 -0.63 -0.55 0.00 0.00 176.35 175.05 1qkh s ILE 31 N -1.70 2.53 -0.13 1.48 -1.09 -0.99 -4.88 121.20 116.43 1qkh s ILE 31 Ca 0.19 -1.95 -0.06 0.00 -2.23 0.00 0.00 60.65 56.60 1qkh s ILE 31 Cb -0.08 -2.22 -0.04 0.00 -1.58 0.00 0.00 42.46 38.54 1qkh s ILE 31 CO 0.09 -0.11 0.08 -0.54 -1.23 0.00 0.00 174.94 173.23 1qkh s LYS 32 N -2.70 3.48 0.11 2.79 -0.14 -1.26 -0.40 119.74 121.62 1qkh s LYS 32 Ca 0.22 -0.26 0.09 0.00 -1.36 0.00 0.00 55.97 54.65 1qkh s LYS 32 Cb -0.08 -3.10 -0.04 0.00 -1.68 0.00 0.00 37.83 32.93 1qkh s LYS 32 CO 0.11 0.61 -0.22 0.99 -0.76 0.00 0.00 175.35 176.09 1qkh s THR 33 N -0.58 1.79 -0.24 2.17 2.01 -0.95 -4.38 115.64 115.45 1qkh s THR 33 Ca 0.11 -1.59 0.20 0.00 0.31 0.00 0.00 61.69 60.72 1qkh s THR 33 Cb -0.12 -1.63 0.46 0.00 0.01 0.00 0.00 72.50 71.22 1qkh s THR 33 CO 0.02 -0.05 1.22 0.79 -0.69 0.00 0.00 174.62 175.91 1qkh n TRP 34 N 1.02 0.26 0.00 4.92 8.01 -1.26 -3.86 117.44 126.54 1qkh n TRP 34 Ca -0.19 -1.80 0.00 0.00 -1.31 0.00 0.00 57.50 54.20 1qkh n TRP 34 Cb 0.54 0.25 0.00 0.00 -2.01 0.00 0.00 31.31 30.08 1qkh n TRP 34 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.69 177.11 1qkh n SER 35 N -0.70 0.00 0.13 -0.99 7.64 -1.26 -5.00 113.62 113.44 1qkh n SER 35 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1qkh n SER 35 Cb 0.85 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.05 1qkh n SER 35 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1qkh n ARG 36 N 0.00 0.00 -1.29 1.43 0.00 -1.19 -4.43 116.66 111.18 1qkh n ARG 36 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.85 57.58 1qkh n ARG 36 Cb 0.00 0.00 0.13 0.00 0.00 0.00 0.00 32.46 32.59 1qkh n ARG 36 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 1qkh n ARG 37 N -3.25 2.50 -1.62 -0.14 0.00 -1.26 -3.12 116.66 109.76 1qkh n ARG 37 Ca 0.00 -3.23 -0.45 0.00 -0.00 0.00 0.00 57.85 54.17 1qkh n ARG 37 Cb 0.00 -2.20 -0.02 0.00 -0.00 0.00 0.00 32.46 30.24 1qkh n ARG 37 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1qkh n SER 38 N -1.02 1.75 -4.28 2.89 7.64 -1.25 -3.95 113.62 115.41 1qkh n SER 38 Ca 0.58 1.18 -0.15 0.00 1.01 0.00 0.00 58.87 61.49 1qkh n SER 38 Cb 1.11 -1.34 -0.10 0.00 -1.01 0.00 0.00 64.21 62.88 1qkh n SER 38 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1qkh s THR 39 N -0.88 0.74 0.53 0.44 2.01 -0.92 -4.72 115.64 112.84 1qkh s THR 39 Ca 0.60 -2.00 -0.06 0.00 0.31 0.00 0.00 61.69 60.54 1qkh s THR 39 Cb -0.68 -2.29 -0.02 0.00 0.01 0.00 0.00 72.50 69.51 1qkh s THR 39 CO 0.59 -0.33 0.85 -0.63 -0.69 0.00 0.00 174.62 174.40 1qkh s ILE 40 N -3.62 4.50 0.29 1.82 1.09 -1.26 -4.40 121.20 119.62 1qkh s ILE 40 Ca 0.28 0.21 0.03 0.00 -1.10 0.00 0.00 60.65 60.07 1qkh s ILE 40 Cb 0.06 -3.74 -0.03 0.00 -1.06 0.00 0.00 42.46 37.70 1qkh s ILE 40 CO 0.07 -0.76 0.26 0.68 -0.10 0.00 0.00 174.94 175.09 1qkh s VAL 41 N -2.87 0.00 0.47 2.92 -7.23 -1.26 -4.24 120.40 108.20 1qkh s VAL 41 Ca 0.50 -1.94 0.18 0.00 -1.81 0.00 0.00 61.98 58.91 1qkh s VAL 41 Cb -0.10 -2.51 0.23 0.00 0.56 0.00 0.00 36.38 34.56 1qkh s VAL 41 CO 0.46 0.00 2.06 1.55 -0.31 0.00 0.00 175.10 178.85 1qkh h PRO 42 N 2.28 0.00 0.00 4.82 0.13 -1.98 -0.64 132.00 136.60 1qkh h PRO 42 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1qkh h PRO 42 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1qkh h PRO 42 CO 0.41 0.13 0.00 0.39 -0.23 0.00 0.00 178.00 178.70 1qkh n GLU 43 N -4.21 0.02 -2.76 0.86 1.02 -1.26 -3.43 120.64 110.88 1qkh n GLU 43 Ca -0.03 0.35 -0.04 0.00 -0.02 0.00 0.00 57.16 57.43 1qkh n GLU 43 Cb 0.20 -1.55 0.04 0.00 -0.02 0.00 0.00 31.44 30.11 1qkh n GLU 43 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1qkh n MET 44 N -1.60 1.48 -0.67 3.49 0.00 -0.25 -4.40 117.12 115.17 1qkh n MET 44 Ca 0.02 -3.38 -0.10 0.00 0.00 0.00 0.00 57.70 54.24 1qkh n MET 44 Cb 0.12 -1.44 0.13 0.00 0.00 0.00 0.00 33.22 32.03 1qkh n MET 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1qkh n VAL 45 N -0.38 2.13 -2.10 3.17 0.31 -1.19 -3.88 118.33 116.40 1qkh n VAL 45 Ca 0.08 -1.04 -0.01 0.00 -0.01 0.00 0.00 64.34 63.35 1qkh n VAL 45 Cb 0.81 -0.63 -0.02 0.00 -0.91 0.00 0.00 33.84 33.09 1qkh n VAL 45 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1qkh n GLY 46 N -0.28 0.75 3.19 2.92 0.00 0.02 -1.06 105.19 110.72 1qkh n GLY 46 Ca 0.31 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 1qkh n GLY 46 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qkh s HIS 47 N 0.00 1.05 -1.08 1.61 4.02 -1.18 -4.48 115.29 115.23 1qkh s HIS 47 Ca 0.07 -1.30 -0.10 0.00 1.02 0.00 0.00 55.06 54.75 1qkh s HIS 47 Cb 0.08 -0.55 0.26 0.00 -1.02 0.00 0.00 32.58 31.35 1qkh s HIS 47 CO -0.03 -0.56 1.10 0.99 1.02 0.00 0.00 174.74 177.25 1qkh s THR 48 N -4.07 5.86 -0.41 1.30 2.01 -0.39 0.09 115.64 120.03 1qkh s THR 48 Ca 0.32 -3.21 -0.29 0.00 0.31 0.00 0.00 61.69 58.82 1qkh s THR 48 Cb 0.07 -4.62 0.02 0.00 0.01 0.00 0.00 72.50 67.99 1qkh s THR 48 CO 0.07 -1.21 1.15 -0.63 -0.69 0.00 0.00 174.62 173.31 1qkh s ILE 49 N -0.78 4.28 -1.25 1.82 -1.09 -0.94 -2.33 121.20 120.90 1qkh s ILE 49 Ca 0.30 1.38 -0.19 0.00 -2.23 0.00 0.00 60.65 59.90 1qkh s ILE 49 Cb -0.09 -4.49 0.04 0.00 -1.58 0.00 0.00 42.46 36.33 1qkh s ILE 49 CO -0.07 -0.79 1.76 0.00 -1.23 0.00 0.00 174.94 174.61 1qkh s ALA 50 N 4.26 2.95 0.33 9.38 0.00 0.47 -1.64 121.76 137.50 1qkh s ALA 50 Ca 0.49 -2.70 -0.29 0.00 0.00 0.00 0.00 51.96 49.45 1qkh s ALA 50 Cb -0.10 -4.65 -0.12 0.00 0.00 0.00 0.00 23.12 18.26 1qkh s ALA 50 CO 0.26 -3.73 1.43 1.33 0.00 0.00 0.00 175.76 175.05 1qkh n VAL 51 N 6.73 1.66 -2.62 0.00 0.24 -0.83 -2.23 118.33 121.29 1qkh n VAL 51 Ca 0.47 -0.41 -0.43 0.00 -2.04 0.00 0.00 64.34 61.93 1qkh n VAL 51 Cb 0.46 -1.76 -0.02 0.00 -1.47 0.00 0.00 33.84 31.05 1qkh n VAL 51 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1qkh s TYR 52 N -0.74 2.72 -1.46 6.34 5.04 -1.25 -0.80 117.35 127.21 1qkh s TYR 52 Ca 0.58 0.51 0.00 0.00 -2.44 0.00 0.00 57.07 55.73 1qkh s TYR 52 Cb -0.54 -4.43 0.00 0.00 0.35 0.00 0.00 41.96 37.34 1qkh s TYR 52 CO 0.58 -1.41 0.60 -1.71 -1.34 0.00 0.00 175.55 172.27 1qkh n ASN 53 N 8.06 0.45 0.00 4.32 5.15 0.24 -3.18 115.26 130.31 1qkh n ASN 53 Ca 0.09 -1.66 0.00 0.00 -0.60 0.00 0.00 54.58 52.42 1qkh n ASN 53 Cb 0.49 -0.23 0.00 0.00 -0.53 0.00 0.00 39.78 39.51 1qkh n ASN 53 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1qkh n GLY 54 N 0.20 2.19 0.00 8.20 0.00 -1.18 -4.68 105.19 109.91 1qkh n GLY 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1qkh n GLY 54 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1qkh n LYS 55 N -0.09 1.53 -4.31 1.61 2.85 -1.26 -4.95 118.16 113.54 1qkh n LYS 55 Ca 0.00 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 57.06 1qkh n LYS 55 Cb 0.00 -0.49 -0.11 0.00 -0.65 0.00 0.00 35.03 33.79 1qkh n LYS 55 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1qkh s GLN 56 N -0.74 1.23 -0.33 -1.58 -1.52 -1.26 -5.12 119.66 110.34 1qkh s GLN 56 Ca 0.00 -1.41 -0.17 0.00 -1.95 0.00 0.00 55.36 51.83 1qkh s GLN 56 Cb 0.00 -1.18 -0.01 0.00 -0.22 0.00 0.00 33.01 31.60 1qkh s GLN 56 CO 0.00 0.23 0.45 -1.01 -0.25 0.00 0.00 175.29 174.71 1qkh s HIS 57 N -2.28 3.20 -0.75 0.91 3.76 -1.26 -0.59 115.29 118.28 1qkh s HIS 57 Ca 0.16 0.16 -0.11 0.00 -0.15 0.00 0.00 55.06 55.12 1qkh s HIS 57 Cb -0.04 -2.80 0.20 0.00 1.11 0.00 0.00 32.58 31.05 1qkh s HIS 57 CO 0.06 -0.46 0.66 0.08 -0.85 0.00 0.00 174.74 174.22 1qkh s VAL 58 N 2.24 5.02 -0.87 -0.90 1.01 0.02 -4.78 120.40 122.14 1qkh s VAL 58 Ca 0.16 -2.58 -0.25 0.00 0.00 0.00 0.00 61.98 59.31 1qkh s VAL 58 Cb -0.16 -4.14 -0.09 0.00 0.00 0.00 0.00 36.38 31.99 1qkh s VAL 58 CO 0.12 -0.98 2.15 -2.16 0.00 0.00 0.00 175.10 174.24 1qkh s PRO 59 N 0.15 2.10 -0.43 2.72 0.04 -1.25 -1.96 135.00 136.38 1qkh s PRO 59 Ca 0.17 0.01 -0.19 0.00 0.04 0.00 0.00 61.00 61.04 1qkh s PRO 59 Cb -0.14 -4.95 0.02 0.00 0.04 0.00 0.00 34.50 29.48 1qkh s PRO 59 CO -0.07 -3.92 0.52 0.14 0.04 0.00 0.00 177.00 173.72 1qkh s VAL 60 N 12.33 4.98 -0.74 -0.36 -7.23 -0.65 -4.69 120.40 124.03 1qkh s VAL 60 Ca 0.80 -0.16 -0.26 0.00 -1.81 0.00 0.00 61.98 60.56 1qkh s VAL 60 Cb -0.09 -4.11 -0.04 0.00 0.56 0.00 0.00 36.38 32.70 1qkh s VAL 60 CO 0.04 -0.50 1.92 -0.47 -0.31 0.00 0.00 175.10 175.78 1qkh s TYR 61 N 2.42 1.70 -0.02 2.82 6.14 -1.25 -2.21 117.35 126.96 1qkh s TYR 61 Ca 0.16 0.75 -0.30 0.00 0.64 0.00 0.00 57.07 58.33 1qkh s TYR 61 Cb -0.16 -4.05 -0.04 0.00 0.42 0.00 0.00 41.96 38.14 1qkh s TYR 61 CO 0.16 -2.05 1.12 0.42 0.64 0.00 0.00 175.55 175.85 1qkh s ILE 62 N 9.71 4.41 0.22 3.14 1.09 0.11 -4.87 121.20 135.02 1qkh s ILE 62 Ca 0.70 1.72 0.05 0.00 -1.10 0.00 0.00 60.65 62.02 1qkh s ILE 62 Cb -0.10 -4.11 -0.03 0.00 -1.06 0.00 0.00 42.46 37.16 1qkh s ILE 62 CO 0.11 0.07 0.29 0.42 -0.10 0.00 0.00 174.94 175.73 1qkh s THR 63 N 1.60 5.03 0.63 2.92 -4.23 -1.23 -0.80 115.64 119.56 1qkh s THR 63 Ca 0.55 -1.04 0.06 0.00 -1.18 0.00 0.00 61.69 60.08 1qkh s THR 63 Cb -0.24 -3.69 0.06 0.00 1.34 0.00 0.00 72.50 69.97 1qkh s THR 63 CO 0.25 -0.28 1.17 1.05 -0.54 0.00 0.00 174.62 176.27 1qkh h GLU 64 N 1.51 0.00 0.00 3.99 4.11 -1.50 0.94 114.58 123.62 1qkh h GLU 64 Ca -0.50 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.91 1qkh h GLU 64 Cb 1.22 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 1qkh h GLU 64 CO 0.62 0.00 -0.52 0.27 0.07 0.00 0.00 179.01 179.45 1qkh n ASN 65 N -2.52 1.67 0.00 3.06 0.23 -1.26 -4.68 115.26 111.76 1qkh n ASN 65 Ca -0.00 -3.73 0.00 0.00 -0.53 0.00 0.00 54.58 50.32 1qkh n ASN 65 Cb 0.85 -0.51 0.00 0.00 -2.08 0.00 0.00 39.78 38.05 1qkh n ASN 65 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 1qkh n MET 66 N -1.00 2.23 -0.96 -3.83 2.81 0.32 -5.08 117.12 111.61 1qkh n MET 66 Ca 0.18 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.77 1qkh n MET 66 Cb 0.72 -0.79 0.15 0.00 -0.71 0.00 0.00 33.22 32.59 1qkh n MET 66 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1qkh s VAL 67 N -1.27 2.55 0.00 2.03 0.11 -1.24 -4.47 120.40 118.11 1qkh s VAL 67 Ca 0.00 0.18 0.00 0.00 -2.93 0.00 0.00 61.98 59.23 1qkh s VAL 67 Cb 0.00 -2.45 0.00 0.00 -1.53 0.00 0.00 36.38 32.40 1qkh s VAL 67 CO 0.00 -0.23 0.00 0.61 -3.33 0.00 0.00 175.10 172.15 1qkh n GLY 68 N -0.45 1.57 0.00 6.54 0.00 -1.26 -5.03 105.19 106.56 1qkh n GLY 68 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1qkh n GLY 68 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1qkh n HIS 69 N 0.00 0.00 0.00 1.61 8.25 -1.26 -4.95 115.22 118.86 1qkh n HIS 69 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1qkh n HIS 69 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1qkh n HIS 69 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1qkh n LYS 70 N -0.20 0.00 0.00 -0.41 -0.00 -1.26 -4.30 118.16 111.99 1qkh n LYS 70 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1qkh n LYS 70 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1qkh n LYS 70 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 1qkh n LEU 71 N 0.00 0.00 0.12 -5.58 -0.00 -1.26 -4.47 117.00 105.81 1qkh n LEU 71 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 56.01 56.14 1qkh n LEU 71 Cb 0.00 0.00 0.44 0.00 -0.00 0.00 0.00 43.42 43.86 1qkh n LEU 71 CO 0.00 0.00 0.88 1.23 -0.00 0.00 0.00 177.39 179.50 1qkh h GLY 72 N 0.00 0.00 1.33 1.47 0.00 -1.93 0.47 103.07 104.41 1qkh h GLY 72 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1qkh h GLY 72 CO 0.00 0.00 -0.55 0.83 0.00 0.00 0.00 176.54 176.82 1qkh h GLU 73 N 0.00 0.00 0.00 4.80 4.39 -1.94 -3.16 114.58 118.67 1qkh h GLU 73 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1qkh h GLU 73 Cb 0.61 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1qkh h GLU 73 CO 0.00 0.00 -1.01 1.19 -1.16 0.00 0.00 179.01 178.03 1qkh n PHE 74 N -2.35 0.00 -3.08 4.33 3.01 -1.09 -4.79 117.46 113.49 1qkh n PHE 74 Ca 0.03 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.32 1qkh n PHE 74 Cb 0.47 -0.05 -0.02 0.00 -0.01 0.00 0.00 39.48 39.87 1qkh n PHE 74 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1qkh n ALA 75 N -1.53 2.46 -1.26 4.37 0.00 0.16 -4.91 120.51 119.80 1qkh n ALA 75 Ca -0.00 -3.46 -0.22 0.00 0.00 0.00 0.00 53.44 49.77 1qkh n ALA 75 Cb 0.06 -0.91 -0.11 0.00 0.00 0.00 0.00 19.45 18.49 1qkh n ALA 75 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1qkh n PRO 76 N 0.18 2.47 -1.00 0.00 -0.04 -1.19 -4.62 135.00 130.80 1qkh n PRO 76 Ca 0.23 -1.74 -0.29 0.00 -0.04 0.00 0.00 63.50 61.66 1qkh n PRO 76 Cb 0.67 -2.17 0.21 0.00 -0.04 0.00 0.00 33.50 32.17 1qkh n PRO 76 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1qkh s THR 77 N -0.14 1.90 -1.43 0.52 -1.32 -1.26 -3.92 115.64 110.00 1qkh s THR 77 Ca 0.64 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 61.01 1qkh s THR 77 Cb 0.32 -2.39 0.04 0.00 -1.51 0.00 0.00 72.50 68.96 1qkh s THR 77 CO -0.09 0.00 1.06 -1.14 -2.21 0.00 0.00 174.62 172.25 1qkh n ARG 78 N -4.51 -6.69 -0.04 7.08 0.63 -1.26 -4.88 116.66 107.00 1qkh n ARG 78 Ca 0.06 0.72 0.02 0.00 -0.92 0.00 0.00 57.85 57.73 1qkh n ARG 78 Cb 0.57 -5.68 0.04 0.00 0.45 0.00 0.00 32.46 27.85 1qkh n ARG 78 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 1qkh n THR 79 N -4.79 0.58 -1.18 5.15 5.66 -1.25 -5.32 114.28 113.13 1qkh n THR 79 Ca -0.01 -0.79 0.00 0.00 -3.05 0.00 0.00 64.05 60.20 1qkh n THR 79 Cb 0.56 0.74 0.00 0.00 -1.55 0.00 0.00 70.33 70.08 1qkh n THR 79 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02